Glycoside
GD137262
Name:
GlucoisatisinFormula:
C21H26O12N2S2Smiles:
C=CC(CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)OC(=O)CC1C(O)=Nc2ccccc21Aglycone:
C=CC(CC(S)=NOS(=O)(=O)O)OC(=O)CC1C(O)=Nc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.58 | Num_heavy_atoms: | 37 |
| TPSA: | 225.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD55464
Formula: C15H16O7N2S2
Smiles:
C=CC(CC(S)=NOS(=O)(=O)O)OC(=O)CC1C(O)=Nc2ccccc21| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 400.43 | Num_heavy_atoms: | 26 |
| TPSA: | 134.85 | NumAromaticRings: | 1 |
